BULK CONTRIBUTIONS TO THE PHOTOEMISSION SPECTRA OF CHEMISORBED HYDROGEN ON THESi(111)-(7 × 7)SURFACE: A THEORETICAL STUDY

Louise Stauffer and Christian Minot
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Louise Stauffer: Laboratoire de Physique et de Spectroscopie Electronique, URA 1435 CNRS, Faculté des Sciences et techniques, 4 rue des frères Lumière, 68093 Mulhouse Cedex, France
Christian Minot: Laboratoire de Chimie Théorique, UPR 9070 CNRS, Université P. et M. Curie, Boîte 137 Tour 23-22 p114, 4 Place Jussieu 75252 Cedex 05, France

Surface Review and Letters (SRL), 1997, vol. 04, issue 01, 53-58

Abstract: From a recent theoretical study1using crystalline extension of the Hückel method, the surface contributions to the main featuresP1andP2observed in photoemission experiments when atomic hydrogen is chemisorbed on theSi(111)-(7 × 7)reconstructed surface have been attributed to the saturation of the dangling bonds of the adatoms. This paper investigates the bulk contributions to those peaks. The contributions are derived from calculations on an eight-layer slab and on a real bulk. We conclude that states corresponding to σ bonding between successive silicon layers contribute to peakP2.

Date: 1997
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DOI: 10.1142/S0218625X97000092

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